mrauha Goto Github PK

evolutionary-computation-course

Jupyter/IPython notebooks about evolutionary computation.

eyring

Automated analysis of reaction mechanisms from quantum chemistry.

fireworks

The Fireworks Workflow Management Repo.

flan

Multiple network alignment method FLAN.

framework_graphalignment

freeradical13.github.io

Biology

gb-ga

Graph-based genetic algorithm

gb-gm

Graph-based generative model

geneticalgorithmswithpython

source code from the book Genetic Algorithms with Python by Clinton Sheppard

gimic

Gauge-including magnetically induced currents.

group_page

Django template for group webpages

heartquant

Study your fitbit heart rate data

helixtiltrot

hnews

Hacker News clone for practice in django

inertia

Basic numerical functions related to inertia manipulation.

isorank

IsoRank family of PPI Network Alignment Algorithms

litstudy

Using the power of Python and Jupyter notebooks to automate analysis of scientific literature

localcolabfold

ColabFold on your local PC

md_scripts

mlsummerschoolvienna2022

ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"

mmtf-pyspark

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

mol2vec_notebooks

Mol2vec notebooks for use with Binder service

mol_gen

Molecule generation and optimization

molassembler

Chemoinformatics toolkit with support for inorganic molecules

molblocks

A software to decompose small molecule sets and uncover enriched fragments

molmod

MolMod is a collection of molecular modelling tools for python.

molpher-lib

C++/Python Library for Systematic Chemical Space Exploration

molsimplify

molSimplify code

molvs

Molecule Validation and Standardization

network_align_stuff